sknano.core.atoms.LatticeAtoms

class sknano.core.atoms.LatticeAtoms(atoms=None, casttype=True, **kwargs)

An Atoms sub-class for crystal structure lattice atoms.

Sub-class of Atoms class, and a container class for lists of LatticeAtom instances.

Parameters:

atoms : {None, sequence, LatticeAtoms}, optional

if not None, then a list of LatticeAtom instance objects or an existing LatticeAtoms instance object.

Attributes

M	Total mass of Atoms.
Natoms	Number of atoms in Atoms.
elements	ndarray of Atom.elements in Atoms.
fmtstr
lattice
masses	ndarray of Atom.masss in Atoms.
rs	ndarray of Atom.r position Vectors
symbols	ndarray of Atom.symbols in Atoms.
xs	ndarray of Atoms \(x\) coordinates.
ys	ndarray of Atoms \(y\) coordinates.
zs	ndarray of Atoms \(z\) coordinates.

Methods

append(atom)
clear()
copy()
count(item)
extend(other)
filter(condition[, invert])	Filter Atoms by condition.
filtered(condition[, invert])	Return new list of Atoms filtered by condition.
get_atoms([asarray])	Return list of Atoms.
getatomattr(attr)	Get ndarray of atom attributes attr.
index(item, *args)
insert(i, item)
mapatomattr([from_attr, to_attr, attrmap])	Set/update atom attribute from another atom attribute with dict.
pop([i])
remove(item)
reverse()
rezero([epsilon])	Set values with absolute value less than epsilon to zero.
rotate(**kwargs)	Rotate Atom vectors.
sort([key, reverse])
todict()
translate(t[, fix_anchor_points])	Translate Atom vectors by Vector t.